Sc-560
PubChem CID: 4306515
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| Compound Synonyms | 188817-13-2, SC-560, 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole, SC 560, 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole, SC560, 5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole, 1H-Pyrazole, 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-, CHEBI:76274, MFCD02179214, CHEMBL26915, DTXSID00401775, 5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethyl pyrazole, Lopac-S-2064, 1H-Pyrazole,5-(4- chlorophenyl)-1-(4-Methoxyphenyl)-3-(trifluoroMethyl)-, 6QX8U7AHB4, Lopac0_001086, SCHEMBL676921, BDBM13065, GTPL10240, DTXCID80352630, PQUGCKBLVKJMNT-UHFFFAOYSA-N, HMS3268E05, HMS3412J17, HMS3676J17, HMS3742K09, BCP07005, EX-A1507, s6686, AKOS017343655, CCG-205163, CS-7835, DS-9468, SC-560?, NCGC00015933-01, NCGC00015933-02, NCGC00015933-03, NCGC00015933-04, NCGC00094361-01, NCGC00094361-02, NCGC00094361-03, AC-25811, FS100177, HY-59105, DB-123674, SC-560, >=98% (HPLC), C3572, EU-0101086, R10005, S 2064, SR-01000076122, SR-01000076122-2, BRD-K14767410-001-01-5, BRD-K14767410-001-02-3, Q27145845, SC-560 - CAS 188817-13-2, 1H-Pyrazole,5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-, 633-769-1 |
|---|---|
| Topological Polar Surface Area | 27.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00915, P00918, Q95323, Q16790, P23219, P35354, P05979, n.a., P02791, P16473, P33261, P0A6C1, Q16665, Q01453, Q194T2, P54132, P08482, P40225, Q6W5P4, P08684, P11712, Q99549, Q96KQ7, Q13951, P05177, O89049, Q12809, P79208, Q63921, P0DTD1 |
| Iupac Name | 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole |
| Prediction Hob | 1.0 |
| Target Id | NPT30, NPT31, NPT210, NPT213, NPT211, NPT796, NPT58, NPT96, NPT1416, NPT109, NPT212, NPT208 |
| Xlogp | 5.1 |
| Molecular Formula | C17H12ClF3N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PQUGCKBLVKJMNT-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -6.048 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.294 |
| Compound Name | Sc-560 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.059 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 352.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.481273266666666 |
| Inchi | InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3 |
| Smiles | COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all